Exploring the Polymorphic Accessibility of Halogen-Substituted Dimethyl Isophthalate Derivatives with Green Technology

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-02-24 DOI:10.1021/acs.cgd.4c0160010.1021/acs.cgd.4c01600

Zhonghua Li, Songgu Wu* and Junbo Gong,

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引用次数: 0

Abstract

The influence of halogen-atom substitution for a dimethyl isophthalate compound on the polymorphic behavior and isostructurality property was explored in this paper. Sublimation was demonstrated to exhibit remarkable advantages. Specifically, two polymorphs (Form I and Form II) of dimethyl 5-bromoisophthalate and two polymorphs (Form A and Form B) of dimethyl 5-iodoisophthalate were discovered for the first time. Moreover, the corresponding single crystals suitable for crystal structure determination were also successfully harvested within a few hours. More interestingly, the crystal packing similarities between the stable Form II and metastable Form A were established with the evaluation of quantitative analysis tools. The success in achieving the regulation of luminescence emission with the changes of crystal packing patterns, molecular conformations, and interactions via halogen substitution will provide some inspiration for the development of novel flexible optical solid-state systems in the future.

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利用绿色技术探索卤素取代二甲基间苯二甲酸酯衍生物的多态性可及性

探讨了卤素取代异苯二甲酸二甲酯对其多晶性和同构性的影响。升华被证明具有显著的优势。其中，首次发现了2个5-溴间苯二甲酸二甲酯多晶型（Form I和Form II）和2个5-碘间苯二甲酸二甲酯多晶型（Form A和Form B）。此外，在几个小时内也成功收获了适合晶体结构测定的相应单晶。更有趣的是，通过定量分析工具的评估，确定了稳定型II和亚稳型A之间的晶体堆积相似性。通过卤素取代实现晶体排列模式、分子构象和相互作用对发光发射的调节，将为未来新型柔性光学固态系统的发展提供一些启发。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.